Perspectivas avanzadas

En lo siguiente, proporcionamos un análisis más avanzado sobre las interacciones de una molécula con el metabolismo humano, sitios de acoplamiento, etc.

Interacción de esta molécula con el metabolismo

Utilizamos un modelo de Aprendizaje Profundo para predecir las interacciones de esta molécula con el metabolismo. Consulta la fuente para entender la metodología.

Reacciones que metabolizan esta molécula
GSH-conjugation of organohalide BTMR0224
Enzimas: 2.5.1.18
Reagents

Metabolite: InChI=1S/C31H42...

O-Dealkylation BTMR0052
Reagents
O-Dealkylation BTMR0052
Reagents

Metabolite: InChI=1S/C6H11F...

2-Hydroxylation of 1,4-disubstituted benzene BTMR0037
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C21H26...

2-Hydroxylation of 1,4-disubstituted benzene BTMR0037
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C21H26...

O-Dealkylation of dialkylether BTMR1129
Reagents

Metabolite: InChI=1S/C17H17...

O-Dealkylation of dialkylether BTMR1129
Reagents

Metabolite: InChI=1S/C4H9FO...

O-Dealkylation of dialkylether BTMR1129
Reagents

Metabolite: InChI=1S/C17H19...

O-Dealkylation of dialkylether BTMR1129
Reagents

Metabolite: InChI=1S/C4H7FO...

O-Dealkylation of dialkylether BTMR1129
Reagents

Metabolite: InChI=1S/C19H21...

O-Dealkylation of dialkylether BTMR1129
O-Dealkylation of dialkylether BTMR1129
Reagents

Metabolite: InChI=1S/C19H23...

O-Dealkylation of dialkylether BTMR1129
Epoxidation of alkene BTMR0109
Reagents

Metabolite: InChI=1S/C21H26...

N-Dealkylation of secondary arylalkylamine BTMR1141
Reagents

Metabolite: InChI=1S/C20H24...

Hydroxylation of carbon adjacent to halogen BTMR1079
Enzimas: CYP2E1
Reagents

Metabolite: InChI=1S/C21H26...